Equations of state for hydrogen bonding systems

被引:39
作者
Economou, IG
Donohue, MD
机构
[1] EXXON RES & ENGN CO,FLORHAM PK,NJ 07932
[2] JOHNS HOPKINS UNIV,DEPT CHEM ENGN,BALTIMORE,MD 21218
关键词
D O I
10.1016/0378-3812(95)02926-5
中图分类号
O414.1 [热力学];
学科分类号
摘要
Considerable progress has been made over the last two decades in the modeling of hydrogen bonding fluids. Traditionally, the properties of hydrogen bonding solutions have been predicted and correlated using lattice models to give activity coefficients. Recently, several equations of state have been developed which can be used to predict activities and other configurational properties. This paper presents an overview of the specific types of chemical interactions that can be treated, the mathematical methods used to treat hydrogen bonding, and the similarities and differences in the underlying equations of state that are used to treat the ''van der Waals'' repulsive and attractive forces. Comparisons are made between chemical theories, quasichemical theories, and perturbation theories, including discussions on APACT, Panayiotou-Sanchez-Lacombe, and the SAFT equation.
引用
收藏
页码:518 / 529
页数:12
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